NEWS
2025
10/01/2025 : 2-in-1 : IEEE Spectrum highlighted recent important advances in ‘AI for New Battery Materials’. It included my (i) former Ph.D. student Vidushi Sharma‘s research at IBM Research, (ii) current Ph.D. student JOY DATTA‘s research.
08/01/2025 : GLOBAL MEDIA COVERAGE : Paper in Cell Reports Physical Science on Generative AI for materials discovery received :
- 🌍 Coverage in 25+ countries
- 🌐 Translated into 15+ languages
- 📰 Featured by 50+ media outlets
- 🌟⚡Described by Google – A Significant Breakthrough
- #️⃣1️⃣ 🌎 WORLD’S MOST MEDIA-COVERED JOURNAL PAPER IN 2025
– 06/27 : NEW PAPER : J. Datta et al., Generative AI for Discovering Porous Oxide Materials for Next-Generation Energy Storage, Cell Reports Physical Science, 2025 [PDF]
– 06/27 : MEDIA COVERAGE : Chinese media ebiotrade covered our recent paper on Generative AI in Cell Reports Physical Science. CLICK HERE to read the coverage in Chinese.
– February : GLOBAL MEDIA COVERAGE of Dibakar Datta [CLICK HERE for Details].
– January : New Preprint – Li+ solvation structures in electrolytes.
– January : American Chemical Society (ACS) New York Section awarded Dibakar Datta for the Outstanding Volunteer Effort as Project SEED Mentor.
– January : The American Association for the Advancement of Science (AAAS) has invited Dibakar Datta to attend the 2025 Annual Meeting in Boston for the Science Policy Networking Mixer.
– January : The Biden-Harris Administration and US Department of Energy invited Dibakar Datta to attend the 2024 Enrico Fermi Award ceremony. This ceremony occurred before President Donald Trump‘s inauguration on January 20, 2025.
– January : Dibakar Datta gave two invited talks at the National Institute of Technology (NIT) Silchar, India.
– January : NSF invited Dibakar Datta to serve on panel [CLICK HERE].
2024
– December : Dibakar Datta won ASME Rising Star 2024 Award.
– November : Ph.D. candidate Mr. Joy Datta had an amazing experience at the ASME IMECE in Portland, Oregon. During his presentation, he even received a job offer! He is a rising superstar in Computational Science!
– November : Dibakar Datta has been elected as a Member-at-Large for the United States Association of Computational Mechanics (USACM) Technical Thrust Area (TTA) Committee on ‘Nanotechnology and Lower Scale Phenomena.
– October : Jose Marti STEM Academy wrote an appreciation letter to Dibakar Datta [CLICK HERE]
– October : NEW PAPER – J. Datta, A. Nadimpally ,N. Koratkar, D. Datta, Generative AI for Discovering Porous Oxide Materials for Next-Generation Energy Storage, 2024, Under Review [arXiv]
– August : NEW PAPEE – R. Panchal et al., Nano-Silica Electrolyte Additive Enables Dendrite Suppression in an Anode-Free Sodium Metal Battery, Nano Energy, 2024
– May : Ad Hoc Reviewer – Electrochemistry program , DEVCOM (United States Army Combat Capabilities Development Command), ARL (Army Research Laboratory), US Department of Defense.
– May : Ad Hoc Reviewer – NSF CBET (Chemical, Bioengineering, Environmental, and Transport), Electrochemical Systems program
– May : Ad Hoc Reviewer – NSF Division of Materials Research, Ceramics program.
– April : Ad Hoc Reviewer – Synthesis and Processing Science program, US Department of Energy (DOE) EPSCOR, Basic Energy Sciences (BES) Division.
– March : NEW PAPER – J. Datta et al. , Unlocking the Potential of Open-Tunnel Oxides: DFT-Guided Design and Machine Learning-Enhanced Discovery for Next- Generation Industry-Scale Battery Technologies, RSC Energy Advances (In Press)
– March : Ad Hoc Reviewer – Atomic and Molecular Physics program, AFOSR (Air Force Office Of Scientific Research), US Department of Defense.
– March : NSF Panel Virtual, CMMI (Civil, Mechanical and Manufacturing Innovation ), Mechanics of Materials and Structures (MOMS) program
– February : NSF Panel Virtual, CBET (Chemical, Bioengineering, Environmental, and Transport), Electrochemical Systems program
January : Single author paper : D. Datta, Electro-Chemo-Mechanical Modeling of Multiscale Active Materials for Next-Generation Energy Storage: Opportunities and Challenges, JOM – The Journal of The Minerals, Metals & Materials Society, 2024
January : More Media Coverage on NSF CAREER AWARD : National Science Foundation Funds NJIT Professor Investigating Next-Gen Energy Storage [CLICK HERE]
2023
October : New Jersey Tech Magazine covered Dibakar Datta for his NSF CAREER AWARD.
September : New Paper —- D. Datta, E. S. Lee, Thermal transport in two-dimensional materials-based electrochemical energy storage systems, Annual Review of Heat Transfer, 2023
August : New Paper —- V. Sharma, D. Datta, Effects of Graphene Interface on Potassiation in a Graphene-Selenium Heterostructure Cathode for Potassium-Ion Batteries, ACS Applied Energy Materials, 2023
July : DIBAKAR DATTA won the prestigious National Science Foundation CAREER AWARD
June : New Paper —- J. Datta et al., Transferable and robust machine learning model for predicting stability of Si anodes for multivalent cation batteries, Journal of Materials Science, 2023
May : New Paper —- L. M. R. Arava, D. Datta, W. K. S. Chiu, Special Section on 2D Materials for Electrochemical Energy Storage and Conversion, ASME Journal of Electrochemical Energy Conversion and Storage, 20(2):020301, 2023
March : New Paper –— K. G. Naik, B. S. Vishnugopi, J. Datta, D. Datta, P. P. Mukherjee, Electro-Cheomo-Mechanical Challenges and Perspective in Lithium Metal Batteries, ASME Applied Mechanics Review, 75(1):010802, 2023
2022
– Dibakar is among the “ASME JEECS Emerging Investigators in Electrochemical Energy Conversion and Storage 2022“.
– Dibakar is among the “IAAM Young Scientist Medalists” in Computational Materials Science.
December : New Paper – A. S. Lakhnot, R. A. Panchal, J. Datta, V. Mahajani, K. Bhimani, R. Jain, D. Datta, N. Koratkar, Intercalation Hosts for Multivalent Ion Batteries, Wiley Small Structures
October : Dibakar has been selected for NSF CMMI’s Game Changer Academies (CGCA) program 2023.
August : 08/04/2022 – Mr. Jatin Kashyap defensed his Ph.D. thesis.
July : New Paper – V. Sharma, D. Datta, Developing Potential Energy Surfaces for Graphene-Based 2D–3D Interfaces From Modified High-Dimensional Neural Networks for Applications in Energy Storage, ASME Journal of Electrochemical Energy Conversion and Storage, 19(4):041006, 2022
June : Reviewer, Department of Energy (DOE) $16 million EFRC (Energy Frontier Research Center) proposals.
April : New Paper – J. Kashyap, D. Datta, Drug repurposing for SARS-CoV-2: a high-throughput molecular docking, molecular dynamics, machine learning, and DFT study, Journal of Materials Science, 57, 10780-10802, 2022
January : Invitation to serve on NSF CMMI Mechanics of Materials and Structures (MOMS) program.
Editor of a Special Issue – 2D Materials for Electrochemical Energy Storage and Conversion in ASME JEECS
2021
11/29/2021 : Mr. Joy Datta presented at the 2021 MRS Fall Meeting and Exhibit, Data-Driven Analysis Symposium
October:
10/22/2021 : Ms. Vidushi Sharma successfully defended her Ph.D. thesis. Congrats Dr. Sharma
10/05/2021 :: Invited Seminar by Dr. Datta , Rutgers University, New Jersey, USA (Materials Science and Engineering Dept.)
September:
09/29/2021 – New Paper : D. Datta, P. Mukherjee, W.K.S. Chiu, Special Section on Mechanics of Electrochemical Energy Storage and Conversion, ASME Journal of Electrochemical Energy Conversion and Storage, 18(4):040301, 2021
09/25/2021 – Invited virtual Seminar by Dr. Datta, Indian Institute of Technology (IIT) Kharagpur, India
August : Dr. Datta presented at ACS (American Chemical Society), Virtual and AAAFM (American Association for Advances in Functional Materials), UCLA, USA (Virtual)
July :
Dr. Datta presented at 16th U.S. National Congress on Computational Mechanics, Virtual
We received an NSF grant from CBET Electrochemical System program. Collaborative Research: Fundamental Study of Niobium Tungsten Oxide Anodes for High-Performance Aqueous Batteries
April : Dr. Datta & Ms. V. Sharma presented at MRS Meeting 2021
March :
Dr. Datta gave invited talk at TMS 2021 – The Minerals, Metal & Materials Society, Virtual
Ms. Vidushi Sharma presented at APS Meeting 2021
Papers accepted –
* V. Sharma, D. Datta, Variation in interface strength of silicon with surface engineered Ti3C2 MXenes, RSC Physical Chemistry Chemical Physics, 23, 5540-5550, 2021
* V. Sharma, D. Mitlin, D. Datta, Understanding the Strength of the Selenium-Graphene Interfaces, ACS Langmuir, 37, 6, 2029-2039, 2021
2020
September ::: Dr. Datta has been appointed as the Guest editor (September 2020 – present) :: ASME Journal of Electrochemical Energy Storage and Conversion (JEECS)
* We received $414,512 equivalent computational resources. Thanks, XSEDE.
* Reviewer for the National Science Foundation (NSF) CAREER proposal (DMR).
July ::: Dr. Datta has been invited to speak at TMS 2021, Orlando, Florida
June ::: Paper accepted – J. Kashyap, E. H. Yang, D. Datta, Computational Study of the water-driven graphene wrinkle life-cycle towards applications in flexible electronics
* New book on 2D Materials – Synthesis, Modeling, and Characterization of 2D Materials, and Their Heterostructures
April : Undergraduate student Mr. Joseph Torsiello won the prestigious “Goldwater Scholarship“. It is the most prestigious undergraduate scholarship in the natural sciences, mathematics, and engineering in America.
2019
December :: Paper accepted – “Controlled Edge Dependent Stacking of WS2-WS2 Homo- and WS2-Wse2 Heterostructures : A Computational Study“. Scientific Reports, 10, 1648, 2020
* Dr. Datta has been invited to serve on a National Science Foundation (NSF) Panel.
October :: Dr. Datta and two Ph.D. students (Ms. Vidushi Sharma and Mr. Jatin Kashyap) presented at the SES 2019 – Society of Engineering Science, Washington University in St. Louis, USA.
September :: Dr. Datta served on the National Science Foundation (NSF) Panel at NSF Headquarter in Alexandria, Virginia.
* Dr. Datta has been invited to review ACS PRF proposal.
July :: 06/14/2019 – Our collaborative/GOALI proposal with UT Austin and industry partner Graphenix Developement Inc. has been funded by the National Science Foundation (NSF) CMMI Advanced Manufacturing Program. Project Title : GOALI/Collaborative Research: Roll-to-Roll Atomic Layer Deposition of Selenium-based Battery Cathodes. NJIT (Computational) part : $ 196,626 & UT Austin (experimental) part : $ 295,692
June : 06/14/2019 – Our renewal proposal for the XSEDE research allocation is approved. The estimated value of these awarded resources is $19,650. We previously received $56,195 award value.
May : 05/30/2019 : Ph.D. students Mr. Jatin Kashyap, Ms. Vidushi Sharma gave oral presentations at the ECS Meeting 2019, Atlanta, USA.
April : 04/22/2019 : Two undergraduate students (Mr. Joseph Torsiello & Mr. Jinay Shah) won the prestigious ‘NJIT Provost Summer Research Fellowship Award‘. Each student will receive $3000 in the summer of 2019. Congrats!
March : 03/05/2019 : Postdoc Dr. Kamalika Ghatak, Ph.D. students Mr. Jatin Kashyap, Ms. Vidushi Sharma gave oral presentations at the APS March Meeting 2019, Boston, USA.
February : 02/25/2019 : Ph.D. student Vidushi Sharma won the First Prize in Oral Presentation in International Conference on Functional Nanomaterials, Indian Institute of Technology (IIT), Varanasi, India.
* 02/23/2019 – Ph.D. student Vidushi Sharma gave oral presentation at IIT BHU, Varanansi, India. Dr. Datta is the member of the International Advisory Committee.
* 02/21/2019 – Abstracts Accepted : Two in 235th The Electrochemical Society (ECS) Meeting, Dallas, Texas, USA.
* 02/18/2019 – High-School intern student Ms. Priyanka Solanky (intern in our lab) published a first-author paper in Computational Materials Science (In-Press). She presented a poster at the MRS Fall Meeting, Boston, USA, 2018. She is among the 10% applicants selected for oral presentations at ‘The 2019 New Jersey Junior Science & Humanities Symposium at Rutgers University‘ (March 4-5, 2019). Congrats, kid.
January :: Abstracts Accepted : Three in APS March Meeting 2019, Boston, USA.
2018
December : 12/04/2018 – Dr. Datta has been invited to review funding proposals for the Chilean National Science and Technology Commission (Comisión Nacional de Investigación Científica y Tecnológica). Thanks, Chile.Gracias !
November : 11/29/2018 – 12th grade high school student Ms. Priyanka Solanky (intern in our lab) presented a poster on ‘Graphene-water interaction’ at the MRS Fall Meeting, Boston, USA, 2018 (Nov 29, 2018). She is probably the youngest participant at MRS meeting. Well done, kid.
* 11/30/2018 – Postdoc Dr. Kamalika Ghatak gave oral presentation on ‘Controlled growth mechanism of bilayer 2D TMDs’ at the MRS Fall Meeting, Boston, USA, 2018.
* 11/27/2018 – Ph.D. student Ms. Vidushi Sharma gave oral presentation on ‘2D materials for energy storage’ at the MRS Fall Meeting, Boston, USA, 2018.
October ::: * 11/30/2018 – High-School student Ms. Priyanka Solanky (intern in our lab) presented a poster at the MRS Fall Meeting, Boston, USA, 2018. Ph.D. student Vidushi and postdoc Kamalika gave oral presentations. Congrats everyone.
* 10/17/2018 – High-School student Ms. Priyanka Solanky (intern in our lab) submitted a paper in an international journal as first-author. Priyanka will present a poster at the 2018 MRS Fall Meeting, Boston, USA, Nov 25-30, 2018.
* 10/15/2018 – Dr. Kamalika Ghatak won the ‘Postdoc Hardship Registration Grant’ to attend the 2018 MRS Fall Meeting, Boston, USA, Nov 25-30, 2018.
August ::: * 08/21/2018 – Three abstracts are accepted in 2018 MRS Fall Meeting & Exhibit, Boston, MA, USA. Dr. Datta and Dr. Ghatak will give the oral presentation. 11th-grade high-school student Ms. Priyanka Solanky will present a poster.
* 08/16/2018 – Our work “ Effect of Cobalt Content on the Electrochemical Properties and Structural Stability of NCA Type Cathode Materials ” by K. Ghatak et al. is accepted for publication in Physical Chemistry Chemical Physics
* 08/10/2018 – Postdoc Dr. Kamalika Ghatak attended the Annual PRISMS Workshop 2018 at the University of Michigan, Ann Arbor, USA. She also presented a poster.
July : 07/22/2018 – 27/27/2018: We organized minisymposium entitled “Mechanics and Physics of 2D Crystalline Materials” for the 13th World Congress on Computational Mechanics (July 22-27, 2018), New York City, USA
* 07/25/2018: Dr. Datta presented at the WCCM 2018 NYC on ”Computational Modeling of 2D Materials and their Heterostructures for Sustainable Energy Storage: Opportunities and Challenges”.
* 07/25/2018: Postdoc Dr. Kamalika Ghatak presented at the WCCM 2018, NYC on ”Computational Modeling of the Orientation Controlled Two-Step Epitaxial Growth of WS2-WS2 Homobilayer and WS2-WSe2 Heterobilayer”.
* 07/26/2018: Ph.D. student Ms. Vidushi Sharma presented at the WCCM 2018, NYC on ” Multiscale modeling of energy materials‘.
* 07/10/2018: Our work “Amorphous germanium as a promising anode material for sodium ion batteries: a first principle study” by V. Sharma et al. is accepted for publication in Journal of Materials Science.
June :: 06/07/2018: Postdoc Dr. Kamalika Ghatak presented at the USNC/TAM 2018 on ‘Growth Mechanics of 2D Materials‘
* 06/06/2018: Ph.D. student Mr. Jatin Kashyap presented at the USNC/TAM 2018 on ‘Wrinkling and Interlayer Shear of 2D Materials‘
April ::: Our work “Effect of Cobalt Content on the Electrochemical Properties and Structural Stability of NCA Type Cathode Materials” by K. Ghatak et al. is submitted for publication (Preprint is available in arXiv)
* Paper on “Utilizing van der Waals slippery interfaces to enhance the electrochemical stability of Silicon film anodes in Lithium-ion batteries” is accepted for publication in ACS Applied Materials & Interfaces.
March :: Our work “Amorphous Germanium as a Promising Anode Materials for Sodium Ion Batteries” by V. Sharma et al. is submitted for publication (Preprint is available in arXiv).
Our proposal for the NSF funded Awarded Resources : 23,500.0 GPU Hours, 1,500,000.0 SUs, and 3,500.0 GB space. The estimated value of these awarded resources is $56,195.0
January :: One abstract has been accepted to 18th USNCTAM 2018, Chicago, Illinois, USA & four abstracts have been accepted to 13th WCCM/ 2nd PACCM, 2018 New York City, USA
2017
November : Our poster on TMD at MRS Fall 2017 Meeting won the Best Poster Award.
* Preface to the special edition: “A Special Issue on Modeling and Nanofabrication of 1D and 2D Materials” in Nano-Structures & Nano-Objects
August : Four abstracts are accepted in 2017 MRS Fall Meeting & Exhibit, Boston, MA, USA
July :: Our minisymposium proposal “Mechanics and Physics of 2D Crystalline Materials” for the 13th World Congress on Computational Mechanics (July 22-27, 2018), New York City, the USA has been accepted. We look forward to organizing this minisymposium.
May :: Paper on “Interlayer Shear of Nanomaterials: Graphene-Graphene, Boron Nitride – Boron Nitride and Graphene-Boron Nitride ” is accepted for publication in Acta Mechanica Solida Sinica
February :: 02/23/2017 :: Invited Seminar @ The City University of New York, NY, USA
January :: 01/11/2017 : Presentation @ Tartan/HPC Research Symposium 2017, NJIT, USA
2016
November :: Paper on “Thermal rectification of graphene nanoribbons endorsed by surface hydrogenation” is accepted for publication in CARBON
Paper on “Mechanical properties of graphene grain boundary-hexagonal boron nitride in-plane heterostructure with controlled domain size” is accepted for publication in Computational Materials Science
October :: Invited Speaker ; 10/27/2016 :: Stevens Institute of Technology, Hoboken, New Jersey, USA
10/20/2016 :: Invited Speaker ; Michigan Technological University, Houghton, Michigan, USA
10/2-5/2016:: 3 presentations @ SES 2016, University of Maryland, College Park, USA
June :: 06/30/2016 – Invited Speaker ; Tesla Motors, Palo Alto, California, USA
April :: 04/05/2016 – Invited Speaker ; University of Massachusetts at Dartmouth, Dartmouth, MA, USA
February :: 02/09/2016 – Invited Speaker ; New Jersey Institute of Technology (NJIT), Newark, NJ, USA
